SCHEMBL786706

SCHEMBL786706

COc1cc(C(=O)c2csc(-c3ccccc3)n2)cc(OC)c1O

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
HDAC3 O15379 14/20 0.56
HDAC1 Q13547 14/20 0.56
HDAC7 Q8WUI4 14/20 0.56
HDAC8 Q9BY41 14/20 0.56
HDAC6 Q9UBN7 14/20 0.56
EGFR P00533 2/20 0.55
ECE1 P42892 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18562033 0.91 ALDH1A1 (0.56) ALDH1A1HDAC3HDAC1HDAC7HDAC8
SCHEMBL723752 0.91 HDAC3 (0.67) HDAC3HDAC1HDAC7HDAC8HDAC6
SCHEMBL20850974 0.91 HDAC3 (0.67) HDAC3HDAC1HDAC7HDAC8HDAC6
SCHEMBL24222437 0.90 HDAC3 (0.59) ALDH1A1HDAC3HDAC1HDAC7HDAC8
SCHEMBL1683620 0.89 ALDH1A1 (0.67) ALDH1A1HDAC3HDAC1HDAC7HDAC8
SCHEMBL18576018 0.86 HDAC3 (0.59) HDAC3HDAC1HDAC7HDAC8HDAC6
SCHEMBL1683625 0.86 ALDH1A1 (0.52) ALDH1A1HDAC3HDAC1HDAC7HDAC8
SCHEMBL17241658 0.85 HDAC3 (0.55) ALDH1A1HDAC3HDAC1HDAC7HDAC8
SCHEMBL17241864 0.85 HDAC3 (0.56) HDAC3HDAC1HDAC7HDAC8HDAC6
SCHEMBL786549 0.85 HDAC3 (0.63) HDAC3HDAC1HDAC7HDAC8HDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111253336-B Compounds for the treatment of cancer GTX公司 2023-11-21 CN disclosed
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 US disclosed
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 US disclosed
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2023-08-24 US disclosed
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2023-08-24 US disclosed
US-11648236-B2 Methods of treating coronavirus VERU INC. (US) 2023-05-16 US disclosed
US-11648236-B2 Methods of treating coronavirus VERU INC. (US) 2023-05-16 US disclosed
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2021-10-07 US disclosed
US-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 US disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885HDAC3 39/4885HDAC1 19/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885HDAC3 39/4885HDAC1 19/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB ALDH1A1 2765/4885HDAC3 377/4885HDAC1 348/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885HDAC3 1097/4885HDAC1 1044/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 ALDH1A1 209/4885HDAC3 39/4885HDAC1 19/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885HDAC3 39/4885HDAC1 19/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB ALDH1A1 3603/4885HDAC3 120/4885HDAC1 337/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885HDAC3 39/4885HDAC1 19/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB ALDH1A1 3603/4885HDAC3 120/4885HDAC1 337/4885
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB ALDH1A1 3603/4885HDAC3 120/4885HDAC1 337/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.